* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    146    244     440
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    89.56437   -69.87605
    3     1 S   H    _H1_     3     1.02117    90.98955    38.86113
    4     1 S   H    _H2_     4     1.02130    32.89097   163.13297
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.84165    97.63287   161.86280
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C16    37     1.53314   109.85789  -180.00000
   38    37 S   O    _O24    38     1.23351   122.58701    13.01103
   39    33 S   CT   _C20    70     1.53483   109.36624    57.41428
   40    39 S   HC   _H37    71     1.07202   112.00684   -71.58108
   41    33 S   C    _C17    76     1.50707   104.18792   -59.93372
   42    41 S   O    _O25    77     1.22839   122.10662   120.55043
   43    37 S   CT   _C21    39     1.53480   116.89652  -170.65321
   44    39 S   OH   _O28    72     1.42293   113.05140    50.07553
   45    44 S   HO   _H45    73     0.97102   106.84238  -178.02583
   46    41 S   N    _N21    78     1.37479   113.78378   -58.70030
   47    46 S   H    _H41    79     1.01500   118.67931     0.07402
   48    46 S   H    _H42    80     1.01432   122.66740   179.98022
   49    43 S   CO4  _C14    40     1.52371   112.84728   -78.88488
   50    49 S   O    _O22    41     1.22872   121.41035   -35.53323
   51    43 S   OH   _O29    74     1.42890   107.09417   167.53452
   52    51 S   HO   _H46    75     0.96999   106.46194    59.64202
   53    49 S   CA   _C9_    42     1.48544   119.03866   146.89005
   54    53 S   CA   _C10    43     1.39615   120.45201     4.73127
   55    53 S   CA   _C13    54     1.40184   119.24875  -175.65305
   56    54 S   CA   _C11    44     1.40278   119.05696   178.39550
   57    55 S   OH   _O27    55     1.36850   119.60661     1.25429
   58    57 S   HO   _H44    56     0.96750   109.90771    -0.37949
   59    54 S   CT   _C18    63     1.50368   121.52347     0.67609
   60    59 S   HC   _H34    64     1.09883   110.96243    90.85011
   61    59 S   HC   _H35    65     1.09809   107.84871  -152.52364
   62    56 S   CA   _C7_    45     1.40481   121.35142     1.23654
   63    56 S   CT   _C23    59     1.50355   119.01827  -179.47961
   64    63 S   HC   _H38    60     1.09292   109.77025   -89.33659
   65    63 S   HC   _H39    61     1.09305   110.73227    31.26018
   66    63 S   HC   _H40    62     1.09381   110.64667   150.26222
   67    43 S   CT   _C19    66     1.52856   111.02785    50.27256
   68    67 S   HC   _H36    67     1.12577   107.13774    66.47758
   69    62 S   CA   _C5_    46     1.40469   121.43420   179.54630
   70    69 S   HA   _H32    47     1.08759   121.75153     0.03956
   71    67 S   CO4  _C15    68     1.52764   111.22992   -48.43223
   72    71 S   O    _O23    69     1.23152   122.58749  -131.46981
   73    69 S   CA   _C4_    48     1.39460   120.67475  -179.89913
   74    73 S   HA   _H31    49     1.08635   119.96898  -179.97202
   75    73 S   CA   _C6_    50     1.39156   120.03582    -0.10087
   76    75 S   HA   _H33    51     1.08680   119.53236  -179.90721
   77    75 S   CA   _C12    52     1.39521   119.97130     0.00000
   78    62 S   CA   _C8_    53     1.41232   119.21845    -0.50860
   79    77 S   OH   _O26    57     1.36629   116.09061  -179.97202
   80    79 S   HO   _H43    58     0.96874   109.97530     0.03956
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  17   6  12   6   7   3  14   4   1   2   1   1
  13   5   6   1  13  16  10  14   4   1   8   4   3  12   5   2
   1   1   3   2   7   4   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    71    39    40    44    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    49    67    71    72    39    40    44    45    51    41    42    46    47    48  
   35    36  
   36  
    0  
   38    43    49    50    53    59    67    68    71    39    40    44    51    52    41    42    46  
   43    49    67    39    51    41  
   40    44    45    41    42    46    43    59    67    68    71    72  
   44    45    41    67    71    72  
   42    46    47    48    43    44    71  
   46    47    48  
   49    50    53    54    55    59    60    61    67    68    71    72    51    52  
   45    67    71    72  
   71  
   47    48  
   48  
    0  
   50    53    54    56    78    55    57    59    67    68    71    51    52  
   53    54    55    67    51  
   52    53    59    67    68    71  
   67  
   54    56    62    77    78    55    57    58    63    59    60    61    67  
   56    62    69    78    55    57    63    64    65    66    59    60    61    67    68    71  
   57    58    79    59    56    62    69    75    77    78  
   62    69    70    73    77    78    63    64    65    66    59    60    61    67  
   58    62    77    78  
   78  
   60    61    67    68    71    72    62    63  
   61    67    68    71  
   67    68    71  
   69    70    73    74    75    77    78    79    63    64    65    66  
   64    65    66    69    78  
   65    66  
   66  
    0  
   68    71    72  
   71    72  
   70    73    74    75    76    77    78  
   73    74    75    78  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    41   317.000  1.522
   37    38   570.000  1.229
   37    43   317.000  1.522
   43    49   317.000  1.522
   43    67   268.000  1.529
   43    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    55   469.000  1.400
   54    56   469.000  1.400
   54    59   317.000  1.510
   56    62   469.000  1.400
   56    63   317.000  1.510
   62    69   469.000  1.400
   62    78   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    79   450.000  1.364
   78    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   79    80   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    71   317.000  1.522
   71    72   570.000  1.229
   71    39   317.000  1.522
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   51    52   553.000  0.945
   41    42   570.000  1.229
   41    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    43    70.00000  116.00000
   33    39    71    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    42    80.00000  120.40000
   33    41    46    70.00000  116.60000
   37    43    49    75.00000  107.99600
   37    43    67    63.00000  111.10000
   37    43    51    90.00000  109.61100
   43    37    38    80.00000  120.40000
   43    49    50    80.00000  120.40000
   43    49    53    65.00000  115.47100
   43    67    59    58.35000  112.70000
   43    67    68    37.50000  110.70000
   43    67    71    63.00000  111.10000
   43    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    55    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    56    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    78    63.00000  120.00000
   53    55    57    70.00000  120.00000
   54    56    62    63.00000  120.00000
   54    56    63    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    70.00000  112.17500
   56    62    69    63.00000  120.00000
   56    62    78    63.00000  120.00000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    73    63.00000  120.00000
   62    78    77    63.00000  120.00000
   62    78    55    63.00000  120.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    79    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    55    63.00000  120.00000
   77    79    80    35.00000  113.00000
   78    62    69    63.00000  120.00000
   78    55    57    70.00000  120.00000
   55    53    54    63.00000  120.00000
   55    57    58    35.00000  113.00000
   79    77    78    70.00000  120.00000
   63    56    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    56    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    71    63.00000  111.10000
   61    59    60    33.00000  107.80000
   67    43    49    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    71    72    80.00000  120.40000
   67    71    39    70.00000  116.00000
   71    67    68    35.00000  109.50000
   71    39    40    35.00000  109.50000
   71    39    44    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    71    72    80.00000  120.40000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   51    43    49    90.00000  109.61100
   51    43    67    50.00000  109.50000
   41    33    37    70.00000  107.85200
   41    33    39    63.00000  111.10000
   41    46    47    35.00000  119.80000
   41    46    48    35.00000  119.80000
   46    41    42    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    71   0.56750  1.0 1.0
   29    33    39    71  -0.07550 -1.0 2.0
   29    33    39    71   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    46   0.00000  1.0 1.0
   33    37    43    49   0.65300  1.0 1.0
   33    37    43    49  -0.03850 -1.0 2.0
   33    37    43    49   0.33900  1.0 3.0
   33    37    43    67   0.60050  1.0 1.0
   33    37    43    67   0.05600 -1.0 2.0
   33    37    43    67   0.26150  1.0 3.0
   33    37    43    51   0.55300  1.0 1.0
   33    37    43    51   1.25850 -1.0 2.0
   33    37    43    51  -0.23600  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   2.45000 -1.0 2.0
   33    41    46    48   2.45000 -1.0 2.0
   37    33    39    71   0.11950  1.0 1.0
   37    33    39    71   0.20300 -1.0 2.0
   37    33    39    71  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.09450  1.0 1.0
   37    33    39    44  -1.12950 -1.0 2.0
   37    33    39    44   0.54000  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    46   0.00000  1.0 1.0
   37    43    49    50   0.30150 -1.0 2.0
   37    43    49    53   0.65300  1.0 1.0
   37    43    49    53  -0.03850 -1.0 2.0
   37    43    49    53   0.33900  1.0 3.0
   37    43    67    59  -0.95700  1.0 1.0
   37    43    67    59  -0.18200 -1.0 2.0
   37    43    67    59   0.29450  1.0 3.0
   37    43    67    68  -0.11250  1.0 3.0
   37    43   -67    71   0.11950  1.0 1.0
   37    43   -67    71   0.20300 -1.0 2.0
   37    43   -67    71  -0.70800  1.0 3.0
   37    43    51    52   0.91850  1.0 1.0
   37    43    51    52   0.57950  1.0 3.0
   38    37    43    49   0.30150 -1.0 2.0
   38    37    43    67   0.30150 -1.0 2.0
   38    37    43    51   0.30150 -1.0 2.0
   43    49    53    54   2.26350  1.0 1.0
   43    49    53    54   0.76750 -1.0 2.0
   43    49    53    54   0.22500  1.0 3.0
   43    49    53    55   2.26350  1.0 1.0
   43    49    53    55   0.76750 -1.0 2.0
   43    49    53    55   0.22500  1.0 3.0
   43    67    71    72   0.30150 -1.0 2.0
   43    67    71    39   0.60050  1.0 1.0
   43    67    71    39   0.05600 -1.0 2.0
   43    67    71    39   0.26150  1.0 3.0
   49    43    67    59  -0.95700  1.0 1.0
   49    43    67    59  -0.18200 -1.0 2.0
   49    43    67    59   0.29450  1.0 3.0
   49    43    67    68  -0.11250  1.0 3.0
   49    43    67    71   0.11950  1.0 1.0
   49    43    67    71   0.20300 -1.0 2.0
   49    43    67    71  -0.70800  1.0 3.0
   49    43    51    52   0.91850  1.0 1.0
   49    43    51    52   0.57950  1.0 3.0
   49    53    54    56   3.62500 -1.0 2.0
   49    53   -54    59   3.62500 -1.0 2.0
   49    53    55    78   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    55   1.05000 -1.0 2.0
   53    54    56    62   3.62500 -1.0 2.0
   53    54    56    63   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    67   0.04150 -1.0 2.0
   53    55    57    58   0.84100 -1.0 2.0
   54    53    55    78   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   54    56    62    69   3.62500 -1.0 2.0
   54    56   -62    78   3.62500 -1.0 2.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    65   0.00000  1.0 1.0
   54    56    63    66   0.00000  1.0 1.0
   54    59   -67    43  -0.03700  1.0 1.0
   54    59   -67    43   0.37200 -1.0 2.0
   54    59   -67    43  -0.47300  1.0 3.0
   54    59    67    68   0.43200  1.0 3.0
   54    59    67    71   0.56750  1.0 1.0
   54    59    67    71  -0.07550 -1.0 2.0
   54    59    67    71   0.20000  1.0 3.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    67   0.04150 -1.0 2.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    73   3.62500 -1.0 2.0
   56    62    78    77   3.62500 -1.0 2.0
   56    62    78    55   3.62500 -1.0 2.0
   62    56    63    64   0.00000  1.0 1.0
   62    56    63    65   0.00000  1.0 1.0
   62    56    63    66   0.00000  1.0 1.0
   62    69    73    74   3.62500 -1.0 2.0
   62    69    73    75   3.62500 -1.0 2.0
   62    78   -55    53   3.62500 -1.0 2.0
   62    78    55    57   3.62500 -1.0 2.0
   69    62    78    77   3.62500 -1.0 2.0
   69    62    78    55   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   69    73   -75    77   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -78    62   3.62500 -1.0 2.0
   75    77    78    55   3.62500 -1.0 2.0
   75    77    79    80   0.84100 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    78    55    53   3.62500 -1.0 2.0
   77    78    55    57   3.62500 -1.0 2.0
   78    62    69    70   3.62500 -1.0 2.0
   78    62   -69    73   3.62500 -1.0 2.0
   78    77    79    80   0.84100 -1.0 2.0
   78    55    57    58   0.84100 -1.0 2.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   79    77    78    62   3.62500 -1.0 2.0
   79    77    78    55   3.62500 -1.0 2.0
   63    56    62    69   3.62500 -1.0 2.0
   63    56    62    78   3.62500 -1.0 2.0
   59    54    56    62   3.62500 -1.0 2.0
   59    54    56    63   3.62500 -1.0 2.0
   59    67    71    72   0.30150 -1.0 2.0
   59    67    71    39   0.60050  1.0 1.0
   59    67    71    39   0.05600 -1.0 2.0
   59    67    71    39   0.26150  1.0 3.0
   60    59    67    43   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    71  -0.11250  1.0 3.0
   61    59    67    43   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    71  -0.11250  1.0 3.0
   67    43    49    50   0.30150 -1.0 2.0
   67    43   -49    53   0.05850 -1.0 2.0
   67    43   -49    53   0.17250  1.0 3.0
   67    43    51    52  -0.11600  1.0 1.0
   67    43    51    52  -0.09450 -1.0 2.0
   67    43    51    52   0.21250  1.0 3.0
   67    71   -39    33   0.60050  1.0 1.0
   67    71   -39    33   0.05600 -1.0 2.0
   67    71   -39    33   0.26150  1.0 3.0
   67    71    39    40   0.00000  1.0 1.0
   67    71    39    44   0.55300  1.0 1.0
   67    71    39    44   1.25850 -1.0 2.0
   67    71    39    44  -0.23600  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    39   0.00000  1.0 1.0
   71    39    44    45   0.91850  1.0 1.0
   71    39    44    45   0.57950  1.0 3.0
   72    71    39    33   0.30150 -1.0 2.0
   72    71    39    40   0.00000  1.0 1.0
   72    71    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.60050  1.0 1.0
   39    33   -37    43   0.05600 -1.0 2.0
   39    33   -37    43   0.26150  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    46   1.39750  1.0 1.0
   39    33    41    46  -0.07950 -1.0 2.0
   39    33    41    46  -0.18750  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   51    43    49    50   0.30150 -1.0 2.0
   51    43    49    53   0.65300  1.0 1.0
   51    43    49    53  -0.03850 -1.0 2.0
   51    43    49    53   0.33900  1.0 3.0
   51    43    67    59   0.86500  1.0 1.0
   51    43    67    59  -0.17500 -1.0 2.0
   51    43    67    59   0.20800  1.0 3.0
   51    43    67    68   0.23400  1.0 3.0
   51    43    67    71  -0.09450  1.0 1.0
   51    43    67    71  -1.12950 -1.0 2.0
   51    43    67    71   0.54000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.65300  1.0 1.0
   41    33    37    43  -0.03850 -1.0 2.0
   41    33    37    43   0.33900  1.0 3.0
   41    33    39    71   0.11950  1.0 1.0
   41    33    39    71   0.20300 -1.0 2.0
   41    33    39    71  -0.70800  1.0 3.0
   41    33    39    40  -0.11250  1.0 3.0
   41    33    39    44  -0.09450  1.0 1.0
   41    33    39    44  -1.12950 -1.0 2.0
   41    33    39    44   0.54000  1.0 3.0
   42    41    46    47   2.45000 -1.0 2.0
   42    41    46    48   2.45000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    43    37    38  10.50000 -1.0 2.0
   43    53    49    50  10.50000 -1.0 2.0
   54    55    53    49   4.00000 -1.0 2.0
   56    59    54    53   4.00000 -1.0 2.0
   62    63    56    54   4.00000 -1.0 2.0
   69    78    62    56   4.00000 -1.0 2.0
   73    70    69    62   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    79    77    75   4.00000 -1.0 2.0
   77    55    78    62   4.00000 -1.0 2.0
   78    57    55    53   4.00000 -1.0 2.0
   67    39    71    72  10.50000 -1.0 2.0
   33    46    41    42  10.50000 -1.0 2.0
   48    41    46    47   1.00000 -1.0 2.0
END
